Mol:FL5FDECS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 34 37 0 0 0 0 0 0 0 0999 V2000 | + | 34 37 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.4178 -0.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4178 -0.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4178 -0.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4178 -0.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7032 -1.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7032 -1.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9887 -0.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9887 -0.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9887 -0.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9887 -0.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7032 0.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7032 0.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2742 -1.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2742 -1.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4403 -0.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4403 -0.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4403 -0.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4403 -0.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2742 0.2446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2742 0.2446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7032 -2.2302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7032 -2.2302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1603 0.2740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1603 0.2740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8394 -0.1182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8394 -0.1182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5186 0.2740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5186 0.2740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5186 1.0582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5186 1.0582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8394 1.4504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8394 1.4504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1603 1.0582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1603 1.0582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2742 -2.2345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2742 -2.2345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4519 1.8387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4519 1.8387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1237 1.0321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1237 1.0321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3161 1.1205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3161 1.1205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6083 0.9391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6083 0.9391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9837 1.5894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9837 1.5894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7140 1.4231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7140 1.4231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1154 1.7654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1154 1.7654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7985 1.2460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7985 1.2460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9779 2.2008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9779 2.2008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0982 2.0596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0982 2.0596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1444 0.2517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1444 0.2517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8394 2.2345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8394 2.2345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1977 1.4502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1977 1.4502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1154 0.9204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1154 0.9204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2579 -1.4650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2579 -1.4650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3702 -2.1072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3702 -2.1072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 3 11 1 0 0 0 0 | + | 3 11 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 7 18 2 0 0 0 0 | + | 7 18 2 0 0 0 0 |
| − | 19 20 1 1 0 0 0 | + | 19 20 1 1 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 22 21 1 1 0 0 0 | + | 22 21 1 1 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 19 25 1 0 0 0 0 | + | 19 25 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
| − | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
| − | 6 22 1 0 0 0 0 | + | 6 22 1 0 0 0 0 |
| − | 1 29 1 0 0 0 0 | + | 1 29 1 0 0 0 0 |
| − | 16 30 1 0 0 0 0 | + | 16 30 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 15 31 1 0 0 0 0 | + | 15 31 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 8 33 1 0 0 0 0 | + | 8 33 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 31 32 | + | M SAL 1 2 31 32 |
| − | M SBL 1 1 35 | + | M SBL 1 1 35 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 35 -0.6791 -0.3920 | + | M SBV 1 35 -0.6791 -0.3920 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 33 34 | + | M SAL 2 2 33 34 |
| − | M SBL 2 1 37 | + | M SBL 2 1 37 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SBV 2 37 -0.8176 0.4721 | + | M SBV 2 37 -0.8176 0.4721 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FDECS0001 | + | ID FL5FDECS0001 |
| − | FORMULA C23H24O11 | + | FORMULA C23H24O11 |
| − | EXACTMASS 476.13186161 | + | EXACTMASS 476.13186161 |
| − | AVERAGEMASS 476.43006 | + | AVERAGEMASS 476.43006 |
| − | SMILES c(c1)c(OC)c(cc(C(O4)=C(OC)C(=O)c(c42)c(cc(O)c2C(C3O)OC(C)C(C3O)O)O)1)O | + | SMILES c(c1)c(OC)c(cc(C(O4)=C(OC)C(=O)c(c42)c(cc(O)c2C(C3O)OC(C)C(C3O)O)O)1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
-2.4178 -0.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4178 -0.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7032 -1.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9887 -0.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9887 -0.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7032 0.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2742 -1.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4403 -0.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4403 -0.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2742 0.2446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7032 -2.2302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1603 0.2740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8394 -0.1182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5186 0.2740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5186 1.0582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8394 1.4504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1603 1.0582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2742 -2.2345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4519 1.8387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1237 1.0321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3161 1.1205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6083 0.9391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9837 1.5894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7140 1.4231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1154 1.7654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7985 1.2460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9779 2.2008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0982 2.0596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1444 0.2517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8394 2.2345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1977 1.4502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1154 0.9204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2579 -1.4650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3702 -2.1072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
3 11 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
9 12 1 0 0 0 0
7 18 2 0 0 0 0
19 20 1 1 0 0 0
20 21 1 1 0 0 0
22 21 1 1 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 19 1 0 0 0 0
19 25 1 0 0 0 0
20 26 1 0 0 0 0
23 27 1 0 0 0 0
24 28 1 0 0 0 0
6 22 1 0 0 0 0
1 29 1 0 0 0 0
16 30 1 0 0 0 0
31 32 1 0 0 0 0
15 31 1 0 0 0 0
33 34 1 0 0 0 0
8 33 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 35
M SMT 1 OCH3
M SBV 1 35 -0.6791 -0.3920
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 33 34
M SBL 2 1 37
M SMT 2 OCH3
M SBV 2 37 -0.8176 0.4721
S SKP 5
ID FL5FDECS0001
FORMULA C23H24O11
EXACTMASS 476.13186161
AVERAGEMASS 476.43006
SMILES c(c1)c(OC)c(cc(C(O4)=C(OC)C(=O)c(c42)c(cc(O)c2C(C3O)OC(C)C(C3O)O)O)1)O
M END
